6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one

C18H20FN3O2 — CID 7664527

IUPAC6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCC1CCN(C(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1
InChIInChI=1S/C18H20FN3O2/c1-13-8-10-21(11-9-13)18(24)12-22-17(23)7-6-16(20-22)14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3
InChIKeyURJYWOOUPBFDKF-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.31
Rot. Bonds3

About 6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 7664527) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID7664527
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCC1CCN(C(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1
InChIInChI=1S/C18H20FN3O2/c1-13-8-10-21(11-9-13)18(24)12-22-17(23)7-6-16(20-22)14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3
InChIKeyURJYWOOUPBFDKF-UHFFFAOYSA-N
XLogP2.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 7664527) is 6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is CC1CCN(C(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is URJYWOOUPBFDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13-8-10-21(11-9-13)18(24)12-22-17(23)7-6-16(20-22)14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 329.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 7664527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).